CID 6449098

3-(2-(1-naphthalenyl)-2-oxoethylidene)-1-phenylpiperazinone

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1CN(C(=O)/C(=C\C(=O)C2=CC=CC3=CC=CC=C32)/N1)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-21(19-12-6-8-16-7-4-5-11-18(16)19)15-20-22(26)24(14-13-23-20)17-9-2-1-3-10-17/h1-12,15,23H,13-14H2/b20-15+
InChIKey
BQUIARAAYXXWEF-HMMYKYKNSA-N
Compound name
(3E)-3-(2-naphthalen-1-yl-2-oxoethylidene)-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 182.6
[M+Na]+ 365.12606 187.9
[M-H]- 341.12956 187.9
[M+NH4]+ 360.17066 192.2
[M+K]+ 381.10000 180.0
[M+H-H2O]+ 325.13410 171.3
[M+HCOO]- 387.13504 196.5
[M+CH3COO]- 401.15069 190.6
[M+Na-2H]- 363.11151 185.1
[M]+ 342.13629 176.3
[M]- 342.13739 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.